LMucko/crystallography-open-database · Datasets at Hugging Face

2,008,402

8.916

0.003

6.0717

0.0015

12.62

0.003

90

null

95.027

0.014

90

null

680.6

0.3

103

2

103

2

null

2

I 1 2/a 1

-I 2ya

15

dispiro[2.1.2.1]octane

- C8 H12 -

- C32 H48 -

4

0.5

QA0100

Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja

Dispiro[2.1.2.1]octane at 103K

Acta Crystallographica Section C

1,999

55

4

IUC9900023

10.1107/S0108270199099618

0.71073

MoKα

0.069

0.054

null

0.156

null

1.047

null

has coordinates

Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja Dispiro[2.1.2.1]octane at 103K Acta Crystallographica Section C 55(4) (1999) IUC9900023

301,791

2025-08-18

23:15:32

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2,008,403

9.222

0.005

9.365

0.005

16.728

0.009

90

null

104.62

0.01

90

null

1,397.9

1.3

173

2

173

2

null

4

P 1 21/c 1

-P 2ybc

14

1-Allyl-3-(ethoxycarbonylmethylen)-2-oxo-1,2,3,4-tetrahydroquinoxaline

- C15 H16 N2 O3 -

- C60 H64 N8 O12 -

4

1

QA0101

Sersra, Souad; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael

Ethyl 4-allyl-4-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylideneacetate

Acta Crystallographica Section C

1,999

55

4

IUC9900021

10.1107/S0108270199099655

0.71073

MoKα

0.127

0.055

null

0.135

null

0.994

null

has coordinates,has Fobs

Sersra, Souad; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael Ethyl 4-allyl-4-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylideneacetate Acta Crystallographica Section C 55(4) (1999) IUC9900021

301,791

2025-08-18

23:15:32

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2,008,404

9.1581

0.0005

9.3318

0.0007

13.4647

0.0008

90

null

100.14

0.005

90

null

1,132.74

0.13

293

null

294

null

4

P 1 21/c 1

-P 2ybc

14

azepinoquinoleine

6-chloro-5H-tetrahydroazepino[3,2-c]quinoleine

- C13 H13 Cl N2 -

- C52 H52 Cl4 N8 -

4

1

QA0102

Bureau, Isabelle; Chardon, Josiane; Leclaire, Andre; Hinschberger, Antoine; Rault, Sylvain

6-Chloro-1H-2,3,4,5-tetrahydroazepino[3,2-c]quinoline

Acta Crystallographica Section C

1,999

55

4

IUC9900022

10.1107/S010827019909959X

0.71073

MoKα

0.152

0.044

null

0.059

0.044

null

0.739

null

1.008

null

has coordinates

Bureau, Isabelle; Chardon, Josiane; Leclaire, Andre; Hinschberger, Antoine; Rault, Sylvain 6-Chloro-1H-2,3,4,5-tetrahydroazepino[3,2-c]quinoline Acta Crystallographica Section C 55(4) (1999) IUC9900022

301,791

2025-08-18

23:15:32

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2,008,405

44.3229

0.0004

13.3413

0.0001

25.3433

0.0001

90

null

105.845

0.001

90

null

14,416.7

0.19

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

Bis[(acetato-O,O')bis(triphenylphosphine-P)silver(I)] monohydrate sesquiethanol solvate

- C79 H77 Ag2 O6.5 P4 -

- C632 H616 Ag16 O52 P32 -

8

1

QA0103

Hanna, John V.; Ng, Seik Weng

Redetermination of bis[(acetato-O,O')bis(triphenylphosphine-P)silver(I)] monohydrate sesquiethanol solvate

Acta Crystallographica Section C

1,999

55

4

IUC9900031

10.1107/S0108270199099692

0.71073

MoKα

0.071

0.043

null

0.112

null

1.013

null

has coordinates

Hanna, John V.; Ng, Seik Weng Redetermination of bis[(acetato-O,O')bis(triphenylphosphine-P)silver(I)] monohydrate sesquiethanol solvate Acta Crystallographica Section C 55(4) (1999) IUC9900031

176,435

2020-10-21

18:00:00

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2,008,406

7.3176

0.0006

8.9755

0.0006

17.909

0.001

90

null

93.636

0.005

90

null

1,173.88

0.14

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

1α,4α,4aβ,9β,9aβ,10β-hexahydro-9,10-Epithioanthracene-1,4-diol

- C14 H14 O2 S -

- C56 H56 O8 S4 -

4

1

QA0104

Bats, Jan W.; Krämer, Norbert H.; Linde, Hermann F.G.

1α,4α,4aβ,9β,10β,10aβ-Hexahydro-9,10-epithioanthracene-1,4-diol

Acta Crystallographica Section C

1,999

55

4

IUC9900027

10.1107/S0108270199099588

1.5418

CuKα

0.034

null

0.137

null

2.148

null

has coordinates,has Fobs

Bats, Jan W.; Krämer, Norbert H.; Linde, Hermann F.G. 1α,4α,4aβ,9β,10β,10aβ-Hexahydro-9,10-epithioanthracene-1,4-diol Acta Crystallographica Section C 55(4) (1999) IUC9900027

301,791

2025-08-18

23:15:32

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2,008,407

11.9597

0.0001

18.3546

0.0003

15.0141

0.0003

90

null

100.772

0.001

90

null

3,237.75

0.09

298

2

298

2

null

6

P 1 21/c 1

-P 2ybc

14

(Nitrito-O,O')bis(triphenylphosphine-P)silver(I)

- C36 H30 Ag N O2 P2 -

- C144 H120 Ag4 N4 O8 P8 -

4

1

QA0105

Hanna, John V.; Ng, Seik Weng

(Nitrito-O,O')bis(triphenylphosphine-P)silver(I)

Acta Crystallographica Section C

1,999

55

4

IUC9900029

10.1107/S0108270199099680

0.71073

MoKα

0.087

0.046

null

0.092

null

1.024

null

has coordinates

Hanna, John V.; Ng, Seik Weng (Nitrito-O,O')bis(triphenylphosphine-P)silver(I) Acta Crystallographica Section C 55(4) (1999) IUC9900029

301,791

2025-08-18

23:15:32

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4,321,993

9.111

0.0018

12.474

0.003

13.171

0.003

117.79

0.03

102.39

0.03

101.13

0.03

1,216.7

0.8

150

2

150

2

null

6

P -1

-P 1

2

{[Zn2(mu-3,3-pytz)3(NO3)4](CH2Cl2)}n

3,6-bis(Pyrid-3-yl)1,2,4,5-tetrazine Zinc Nitrate Dichloromethane adduct

- C19 H14 Cl2 N11 O6 Zn -

- C38 H28 Cl4 N22 O12 Zn2 -

2

1

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder

Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers

Inorganic Chemistry

1,999

38

2259

2266

10.1021/ic980898h

0.71073

MoKα

0.0582

0.0452

null

0.1164

0.119

null

0.947

null

has coordinates

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers Inorganic Chemistry 38 (1999) 2259-2266

211,332

2020-10-21

18:00:00

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2,008,408

8.6226

0.0016

8.6226

0.0016

21.73

0.005

90

null

90

null

90

null

1,615.6

0.6

125

2

125

2

null

2

I 41/a :2

-I 4ad

88

perfluoro-benzocyclobutene

- C8 F8 -

- C64 F64 -

8

0.5

QA0106

Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja

2,3,4,5,7,7,8,8,-Octafluorobicyclo[4.2.0]octa-1,3,5-triene at 125K

Acta Crystallographica Section C

1,999

55

4

IUC9900036

10.1107/S0108270199099606

0.71073

MoKα

0.074

0.063

null

0.2

null

1.075

null

has coordinates

Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja 2,3,4,5,7,7,8,8,-Octafluorobicyclo[4.2.0]octa-1,3,5-triene at 125K Acta Crystallographica Section C 55(4) (1999) IUC9900036

301,791

2025-08-18

23:15:32

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2,008,409

9.985

0.002

14.839

0.003

12.744

0.003

90

null

108.81

0.01

90

null

1,787.4

0.7

173

2

173

2

null

3

P 1 21/n 1

-P 2yn

14

- C22 H20 O4 -

- C88 H80 O16 -

4

1

QA0107

Elazami, Mohamed; Bitit, Najib; Kerbal, Abdelali; Fahim, Mohamed; El-Bali, Brahim; Bolte, Michael

Diethyl 2-anthracen-9-ylmethylenemalonate

Acta Crystallographica Section C

1,999

55

4

IUC9900037

10.1107/S0108270199099643

0.71073

MoKα

0.112

0.054

null

0.119

null

1.017

null

has coordinates,has Fobs

Elazami, Mohamed; Bitit, Najib; Kerbal, Abdelali; Fahim, Mohamed; El-Bali, Brahim; Bolte, Michael Diethyl 2-anthracen-9-ylmethylenemalonate Acta Crystallographica Section C 55(4) (1999) IUC9900037

301,791

2025-08-18

23:15:32

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2,008,410

10.195

0.0001

10.2164

0.0001

19.3172

0.0001

75.501

0.001

74.862

0.001

64.474

0.001

1,730.53

0.03

173

2

173

2

null

5

P -1

-P 1

2

- C41 H30 N4 O3 W -

- C82 H60 N8 O6 W2 -

2

1

QB0073

Abboud, Khalil A.; He, Yingxia; McElwee-White, Lisa

Tricarbonylbis(1,2,3-triphenyl-1,3-diazaallyl)tungsten(IV)

Acta Crystallographica Section C

1,999

55

4

IUC9900032

10.1107/S0108270199099679

0.71073

MoKα

0.033

0.027

null

0.058

0.061

null

1.008

null

has coordinates

Abboud, Khalil A.; He, Yingxia; McElwee-White, Lisa Tricarbonylbis(1,2,3-triphenyl-1,3-diazaallyl)tungsten(IV) Acta Crystallographica Section C 55(4) (1999) IUC9900032

176,759

2020-10-21

18:00:00

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2,008,411

10.077

0.004

13.231

0.003

17.167

0.004

98.14

0.02

106.12

0.03

111.12

0.03

1,975.2

1.2

294

2

294

2

null

5

P -1

-P 1

2

2,4-Di(triphenylphosphino)-closo-decaborane-Dichloromethane (1/1)

- C37 H40 B10 Cl2 P2 -

- C74 H80 B20 Cl4 P4 -

2

1

QB0074

Yao, Hai-Jun; Hu, Chun-Hua; Dou, Jian-Min; Jin, Ruo-Shui; Zheng, Pei-Ju

2,4-Bis(triphenylphosphino)-closo-decaborane‒dichloromethane (1/1)

Acta Crystallographica Section C

1,999

55

4

IUC9900033

10.1107/S0108270199099576

0.71073

MoKα

null

0.057

null

0.198

null

1.046

null

has coordinates

Yao, Hai-Jun; Hu, Chun-Hua; Dou, Jian-Min; Jin, Ruo-Shui; Zheng, Pei-Ju 2,4-Bis(triphenylphosphino)-closo-decaborane‒dichloromethane (1/1) Acta Crystallographica Section C 55(4) (1999) IUC9900033

176,759

2020-10-21

18:00:00

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2,008,412

5.493

0.002

10.104

0.002

16.288

0.004

97.26

0.02

93.4

0.02

92.6

0.03

893.9

0.4

173

2

null

5

P -1

-P 1

2

Iodoproxyfan

3-(1H-imidazol-4-yl)propyl (4-iodophenyl)methyl ether hydrogen maleate

- C17 H19 I N2 O5 -

- C34 H38 I2 N4 O10 -

2

1

QB0075

Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka

4-[3-(4-Iodophenylmethoxy)propyl]-1H-imidazolium hydrogen maleate (iodoproxyfan hydrogen maleate)

Acta Crystallographica Section C

1,999

55

4

IUC9900035

10.1107/S0108270199099564

0.71073

MoKα

0.022

0.021

null

0.057

null

1.184

null

has coordinates

Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka 4-[3-(4-Iodophenylmethoxy)propyl]-1H-imidazolium hydrogen maleate (iodoproxyfan hydrogen maleate) Acta Crystallographica Section C 55(4) (1999) IUC9900035

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008412.cif $ #-------------------------------------------------------------------...

2,008,413

12.889

0.003

25.096

0.005

16.189

0.003

90

null

94.812

0.015

90

null

5,218.1

1.9

295

null

295

null

6

P 1 21/n 1

-P 2yn

14

- Bi2 H88 Na6 Ni2 O112 W20 -

- Bi2 Na5.998 Ni1.62 O105 W20.38 -

- Bi4 Na11.996 Ni3.24 O210 W40.76 -

2

0.5

QB0077

Rosu, Cristina; Weakley, Timothy J.R.

Hexasodium tetrahydrogen bis(triaquanickelo)icosatungstodibismuthate(III)(10 ‒) 36-hydrate

Acta Crystallographica Section C

1,999

55

4

IUC9900034

10.1107/S0108270199099710

0.71073

MoKα

0.117

0.052

null

0.056

null

0.05

null

1.35

null

1.5

null

has coordinates

Rosu, Cristina; Weakley, Timothy J.R. Hexasodium tetrahydrogen bis(triaquanickelo)icosatungstodibismuthate(III)(10 ‒) 36-hydrate Acta Crystallographica Section C 55(4) (1999) IUC9900034

176,759

2020-10-21

18:00:00

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4,321,992

7.59

0.003

10.561

0.002

15.951

0.005

87.56

0.02

83.49

0.04

71.12

0.02

1,202

0.7

297

2

297

2

null

5

P -1

-P 1

2

{[Zn2(3,3'-pytz)2(NO3)4(EtOH)2(mu-3,3'-pytz)]}n

3,6-bis(pyrid-3-yl)-1,2,4,5-tetrazine Zinc nitrate ethanol adduct

- C20 H18 N11 O7 Zn -

- C40 H36 N22 O14 Zn2 -

2

1

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder

Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers

Inorganic Chemistry

1,999

38

2259

2266

10.1021/ic980898h

0.71073

MoKα

0.0981

0.0615

null

0.1031

0.1268

null

1.219

null

has coordinates

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers Inorganic Chemistry 38 (1999) 2259-2266

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321992.cif $ #-------------------------------------------------------------------...

2,008,414

9.364

0.0019

15.401

0.003

9.871

0.002

90

null

112.38

0.03

90

null

1,316.3

0.5

298

null

298

null

5

P 1 21/n 1

-P 2yn

14

- C26 H26 Cl2 P2 Pd -

- C52 H52 Cl4 P4 Pd2 -

2

0.5

QB0079

Guzman-Jimenez, Ilse Y.; Whitmire, Kenton H.

trans-Dichlorobis(methyldiphenylphosphine-P)palladium(II)

Acta Crystallographica Section C

1,999

55

4

IUC9900028

10.1107/S0108270199099709

0.71073

MoKα

0.052

0.035

null

0.098

null

1.092

null

has coordinates,has Fobs

Guzman-Jimenez, Ilse Y.; Whitmire, Kenton H. trans-Dichlorobis(methyldiphenylphosphine-P)palladium(II) Acta Crystallographica Section C 55(4) (1999) IUC9900028

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008414.cif $ #-------------------------------------------------------------------...

2,008,415

7.361

0.003

16.269

0.004

9.622

0.003

90

null

97.6

0.03

90

null

1,142.2

0.7

299

null

299

null

4

P 1 21/a 1

-P 2yab

14

N,N'-bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine

- C28 H28 N2 O2 -

- C56 H56 N4 O4 -

2

0.5

QB0084

Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu

(RS,SR)-N,N'-Bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine

Acta Crystallographica Section C

1,999

55

4

IUC9900030

10.1107/S0108270199099552

0.71073

MoKα

0.125

0.066

null

0.201

null

1.048

null

has coordinates

Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu (RS,SR)-N,N'-Bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine Acta Crystallographica Section C 55(4) (1999) IUC9900030

301,791

2025-08-18

23:15:32

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2,008,416

10.9185

0.0011

28.281

0.004

8.638

0.0007

90

null

90

null

90

null

2,667.3

0.5

296

null

296

null

3

P 21 21 21

P 2ac 2ab

19

L-menthyl (-)-3-methoxy-13-methyl-14-ethyl-11,12,13(S)14(R)- tetrahydrophenanthrene 13-carboxylate IUPAC: L-menthyl (-)-(1R,2S)-1-ethyl-7-methoxy-2-methyl- 1,2,3,4-tetrahydrophenanthrene-2-carboxylate

- C29 H40 O3 -

- C116 H160 O12 -

4

1

QB0088

Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.; Adler, Stuart; Banz, William J.; Winters, Todd A.

L-Menthyl ester of highly estrogenic (–)-(Z)-bisdehydrodoisynolic acid 3-methyl ether

Acta Crystallographica Section C

1,999

55

4

IUC9900020

10.1107/S0108270199099540

0.71069

MoKα

0.186

0.034

null

0.121

null

0.958

null

has coordinates

Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.; Adler, Stuart; Banz, William J.; Winters, Todd A. L-Menthyl ester of highly estrogenic (–)-(Z)-bisdehydrodoisynolic acid 3-methyl ether Acta Crystallographica Section C 55(4) (1999) IUC9900020

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008416.cif $ #-------------------------------------------------------------------...

2,008,417

9.285

0.001

11.86

0.003

12.53

0.002

90

null

102.94

0.01

90

null

1,344.8

0.4

293

null

293

null

3

P 1 21/n 1

-P 2yn

14

3,5-di-tert-butyl-1,2-benzoquinone

- C14 H20 O2 -

- C56 H80 O8 -

4

1

SK1163

Horng, Den-Nan; Chyn, Jong-Pyng; Shieh, Kuan-Jiunn; Chou, Jeh-Li; Wen, Yuh-Sheng

3,5-Di-tert-butyl-1,2-benzoquinone

Acta Crystallographica Section C

1,999

55

4

652

653

10.1107/S010827019801436X

0.71073

MolybdenumKα

0.081

0.044

null

0.056

0.052

null

1.9

null

has coordinates

Horng, Den-Nan; Chyn, Jong-Pyng; Shieh, Kuan-Jiunn; Chou, Jeh-Li; Wen, Yuh-Sheng 3,5-Di-tert-butyl-1,2-benzoquinone Acta Crystallographica Section C 55(4) (1999) 652-653

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008417.cif $ #-------------------------------------------------------------------...

2,008,418

7.328

0.008

8.729

0.009

11.513

0.011

95.83

0.07

107.27

0.08

97.34

0.07

689.9

1.3

293

2

293

2

null

4

P -1

-P 1

2

Methyl 1,4,5,6-tetrahydro-2-methyl-4-(2-nitrophenyl)-6-oxo-pyridine-3- carboxylate

- C14 H14 N2 O5 -

- C28 H28 N4 O10 -

2

1

SK1228

Viktor Kettmann; Ján Svetlík

Methyl 1,4,5,6-tetrahydro-2-methyl-4-(2-nitrophenyl)-6-oxopyridine-3-carboxylate

Acta Crystallographica Section C

1,999

55

4

661

663

10.1107/S0108270198015029

0.71073

MoKα

0.104

0.06

null

0.165

0.123

null

1.041

1.182

null

has coordinates

Viktor Kettmann; Ján Svetlík Methyl 1,4,5,6-tetrahydro-2-methyl-4-(2-nitrophenyl)-6-oxopyridine-3-carboxylate Acta Crystallographica Section C 55(4) (1999) 661-663

201,955

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008418.cif $ #-------------------------------------------------------------------...

2,008,419

4.8912

0.0006

11.6238

0.0012

5.6581

0.0003

90

null

91.279

0.006

90

null

321.61

0.05

293

null

293

null

4

P 1 21/n 1

-P 2yn

14

1,2-Ethylenebis(phosphonic acid)

- C2 H8 O4 P2 -

- C4 H16 O8 P4 -

2

0.5

SK1229

Joachim Bruckmann; Carl Krüger; Christian W. Lehmann; Walter Leitner; Jörg Rust; Christian Six

Ethylenebis(phosphonic acid)

Acta Crystallographica Section C

1,999

55

4

695

696

10.1107/S0108270198016448

0.71069

MoKα

0.041

0.038

null

0.115

0.118

null

1.286

null

has coordinates

Joachim Bruckmann; Carl Krüger; Christian W. Lehmann; Walter Leitner; Jörg Rust; Christian Six Ethylenebis(phosphonic acid) Acta Crystallographica Section C 55(4) (1999) 695-696

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008419.cif $ #-------------------------------------------------------------------...

2,008,420

6.893

0.004

18.222

0.008

6.981

0.003

90

null

108.05

0.05

90

null

833.7

0.7

293

2

293

2

null

3

P 1 21 1

P 2yb

4

4-oxa-3,17-dioxoandrostane-5α-carbaldehyde

- C19 H26 O4 -

- C38 H52 O8 -

2

1

SK1231

Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.

3,17-Dioxo-4-oxaandrostane-5α-carbaldehyde

Acta Crystallographica Section C

1,999

55

4

637

639

10.1107/S0108270198015728

0.71073

MoKα

0.0728

0.0403

null

0.1128

null

1.056

null

has coordinates,has Fobs

Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S. 3,17-Dioxo-4-oxaandrostane-5α-carbaldehyde Acta Crystallographica Section C 55(4) (1999) 637-639

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008420.cif $ #-------------------------------------------------------------------...

4,321,991

7.535

0.001

10.728

0.001

15.219

0.002

85.36

0.01

80.63

0.01

69.34

0.01

1,135.4

0.3

150

0.2

150

null

5

P -1

-P 1

2

{[Zn2(3,6-bis(pyridin-3-yl)-1,2,4,5-tetrazine)2(NO3)4(MeOH)2 (mu-3,6-bis(pyridin-3-yl)-1,2,4,5-tetrazine)]}n

- C19 H16 N11 O7 Zn -

- C38 H32 N22 O14 Zn2 -

2

1

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder

Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers

Inorganic Chemistry

1,999

38

2259

2266

10.1021/ic980898h

0.71069

MoKα

0.0439

null

0.0633

null

1.085

null

has coordinates

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers Inorganic Chemistry 38 (1999) 2259-2266

301,838

2025-08-20

22:17:36

#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321991.cif $ #-------------------------------------------------------------------...

2,008,421

9.115

0.002

14.226

0.002

20.224

0.004

90

null

93.532

0.009

90

null

2,617.5

0.9

298

2

298

2

null

4

P 1 21/c 1

-P 2ybc

14

(Coumarin-3-carboxylato)triphenyltin^.^ethanol

- C30 H26 O5 Sn -

- C120 H104 O20 Sn4 -

4

1

SK1234

Ng, Seik Weng

Coordination complexes of triphenyltin coumarin-3-carboxylate with O-donor ligands: (coumarin-3-carboxylato)triphenyltin‒L (L = ethanol, diphenylcyclopropenone and quinoline N-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒L (L = triphenylphosphine oxide and triphenylarsi...

Acta Crystallographica Section C

1,999

55

4

523

531

10.1107/S0108270198014991

0.71073

MoKα

0.096

0.052

null

0.118

null

0.992

null

has coordinates

Ng, Seik Weng Coordination complexes of triphenyltin coumarin-3-carboxylate with O-donor ligands: (coumarin-3-carboxylato)triphenyltin‒L (L = ethanol, diphenylcyclopropenone and quinoline N-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒L (L = triphenylphosphine oxide and...

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008421.cif $ #-------------------------------------------------------------------...

2,008,422

12.712

0.002

19.402

0.002

14.456

0.003

90

null

97.242

0.009

90

null

3,537

1

298

2

298

2

null

4

P 1 21/n 1

-P 2yn

14

(Coumarin-3-carboxylato)triphenyltin^.^1,2-diphenylcyclopropenone

- C43 H30 O5 Sn -

- C172 H120 O20 Sn4 -

4

1

SK1234

Ng, Seik Weng

Coordination complexes of triphenyltin coumarin-3-carboxylate with O-donor ligands: (coumarin-3-carboxylato)triphenyltin‒L (L = ethanol, diphenylcyclopropenone and quinoline N-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒L (L = triphenylphosphine oxide and triphenylarsi...

Acta Crystallographica Section C

1,999

55

4

523

531

10.1107/S0108270198014991

0.71073

MoKα

0.126

0.059

null

0.126

null

0.989

null

has coordinates

Ng, Seik Weng Coordination complexes of triphenyltin coumarin-3-carboxylate with O-donor ligands: (coumarin-3-carboxylato)triphenyltin‒L (L = ethanol, diphenylcyclopropenone and quinoline N-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒L (L = triphenylphosphine oxide and...

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008422.cif $ #-------------------------------------------------------------------...

2,008,423

10.4099

0.0003

11.52

0.001

13.725

0.002

111.754

0.008

95.758

0.007

98.695

0.005

1,489.1

0.3

298

2

298

2

null

5

P -1

-P 1

2

(Coumarin-3-carboxylato)triphenyltin^.^quinoline N-oxide

- C37 H27 N O5 Sn -

- C74 H54 N2 O10 Sn2 -

2

1

SK1234

Ng, Seik Weng

Coordination complexes of triphenyltin coumarin-3-carboxylate with O-donor ligands: (coumarin-3-carboxylato)triphenyltin‒L (L = ethanol, diphenylcyclopropenone and quinoline N-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒L (L = triphenylphosphine oxide and triphenylarsi...

Acta Crystallographica Section C

1,999

55

4

523

531

10.1107/S0108270198014991

0.71073

MoKα

0.041

0.032

null

0.08

null

1.013

null

has coordinates

Ng, Seik Weng Coordination complexes of triphenyltin coumarin-3-carboxylate with O-donor ligands: (coumarin-3-carboxylato)triphenyltin‒L (L = ethanol, diphenylcyclopropenone and quinoline N-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒L (L = triphenylphosphine oxide and...

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008423.cif $ #-------------------------------------------------------------------...

4,321,990

8.981

0.016

9.93

0.02

13.19

0.02

94.12

0.15

102.35

0.13

88.12

0.15

1,146

4

150

2

150

2

null

6

P -1

-P 1

2

{[Cd2(mu-3,3'-pytz)3(NO3)4](CH2Cl2)}n

3,6-bis(pyrid-3-yl)-1,2,4,5-tetrazine Cadmium Nitrate Dichloromethane adduct

- C18.5 H13 Cd Cl N11 O6 -

- C18.5 H12 Cd Cl N11 O6 -

- C37 H24 Cd2 Cl2 N22 O12 -

2

1

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder

Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers

Inorganic Chemistry

1,999

38

2259

2266

10.1021/ic980898h

0.71073

MoKα

0.0676

0.0563

null

0.1255

0.1362

null

1.041

null

has coordinates,has disorder

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers Inorganic Chemistry 38 (1999) 2259-2266

211,332

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $ #$Revision: 211332 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321990.cif $ #-------------------------------------------------------------------...

2,008,424

9.4696

0.0006

16.164

0.002

20.816

0.002

79.329

0.008

81.946

0.007

80.861

0.007

3,071.2

0.5

298

2

298

2

null

5

P -1

-P 1

2

Bis[(coumarin-3-carboxylato)triphenyltin]^.^triphenylphosphine oxide

- C74 H55 O9 P Sn2 -

- C148 H110 O18 P2 Sn4 -

2

1

SK1234

Ng, Seik Weng

Coordination complexes of triphenyltin coumarin-3-carboxylate with O-donor ligands: (coumarin-3-carboxylato)triphenyltin‒L (L = ethanol, diphenylcyclopropenone and quinoline N-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒L (L = triphenylphosphine oxide and triphenylarsi...

Acta Crystallographica Section C

1,999

55

4

523

531

10.1107/S0108270198014991

0.71073

MoKα

0.066

0.047

null

0.102

null

1.069

null

has coordinates

Ng, Seik Weng Coordination complexes of triphenyltin coumarin-3-carboxylate with O-donor ligands: (coumarin-3-carboxylato)triphenyltin‒L (L = ethanol, diphenylcyclopropenone and quinoline N-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒L (L = triphenylphosphine oxide and...

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008424.cif $ #-------------------------------------------------------------------...

2,008,425

9.5242

0.0004

16.219

0.002

20.807

0.002

79.501

0.009

81.793

0.007

80.523

0.006

3,096

0.5

298

2

298

2

null

5

P -1

-P 1

2

Bis[(coumarin-3-carboxylato)triphenyltin]^.^triphenylarsine oxide

- C74 H55 As O9 Sn2 -

- C148 H110 As2 O18 Sn4 -

2

1

SK1234

Ng, Seik Weng

Coordination complexes of triphenyltin coumarin-3-carboxylate with O-donor ligands: (coumarin-3-carboxylato)triphenyltin‒L (L = ethanol, diphenylcyclopropenone and quinoline N-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒L (L = triphenylphosphine oxide and triphenylarsi...

Acta Crystallographica Section C

1,999

55

4

523

531

10.1107/S0108270198014991

0.71073

MoKα

0.058

0.041

null

0.093

null

1.085

null

has coordinates

Ng, Seik Weng Coordination complexes of triphenyltin coumarin-3-carboxylate with O-donor ligands: (coumarin-3-carboxylato)triphenyltin‒L (L = ethanol, diphenylcyclopropenone and quinoline N-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒L (L = triphenylphosphine oxide and...

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008425.cif $ #-------------------------------------------------------------------...

2,008,426

8.3216

0.0016

12.392

0.003

15.949

0.002

83.58

0.02

79.634

0.016

72.99

0.015

1,544

0.5

294

1

294

1

null

5

P -1

-P 1

2

1,1'-Bis(3-phenylquinoxalin-2-yl)ferrocene dichloromethane solvate

- C38.9 H27.8 Cl1.8 Fe N4 -

- C38.898 H27.796 Cl1.796 Fe N4 -

- C77.796 H55.592 Cl3.592 Fe2 N8 -

2

1

SK1238

Ahmed, S. Zaka,; Glidewell, Christopher; Ferguson, George

1,1'-Bis(3-phenylquinoxalin-2-yl)ferrocene dichloromethane solvate

Acta Crystallographica Section C

1,999

55

4

503

506

10.1107/S010827019801186X

0.71073

MoKα

0.145

0.067

null

0.144

null

0.852

null

has coordinates

Ahmed, S. Zaka,; Glidewell, Christopher; Ferguson, George 1,1'-Bis(3-phenylquinoxalin-2-yl)ferrocene dichloromethane solvate Acta Crystallographica Section C 55(4) (1999) 503-506

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008426.cif $ #-------------------------------------------------------------------...

2,008,427

8.5966

0.0007

11.4966

0.0014

12.4867

0.0011

70.432

0.008

77.619

0.007

85.302

0.009

1,135.7

0.2

295

null

5

P -1

-P 1

2

- C26 H18 N4 O6 Zn -

- C52 H36 N8 O12 Zn2 -

2

1

SK1243

Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan

Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups

Acta Crystallographica Section C

1,999

55

4

508

510

10.1107/S0108270198015406

0.71073

MoKα

null

0.0412

null

0.0517

null

1.01

null

has coordinates

Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups Acta Crystallographica Section C 55(4) (1999) 508-510

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008427.cif $ #-------------------------------------------------------------------...

4,321,989

9.06

0.003

9.848

0.003

13.208

0.004

86.76

0.03

79.04

0.03

88.14

0.02

1,154.8

0.6

297

2

297

2

null

5

P -1

-P 1

2

{[Cd2(mu-3,3'-pytz)3(NO3)4](EtOH)}n

3,6-bis(pyridy-3-yl)-1,2,4,5-tetrazine Cadmium nitrate ethanol adduct

- C19 H14.5 Cd N11 O6.5 -

- C19 H12 Cd N11 O6.5 -

- C38 H24 Cd2 N22 O13 -

2

1

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder

Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers

Inorganic Chemistry

1,999

38

2259

2266

10.1021/ic980898h

0.71073

MoKα

0.0397

0.0315

null

0.0802

0.0872

null

0.977

null

has coordinates

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers Inorganic Chemistry 38 (1999) 2259-2266

211,332

2020-10-21

18:00:00

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2,008,428

9.0778

0.0011

11.4052

0.0013

12.0973

0.0012

84.898

0.002

87.619

0.003

71.594

0.002

1,183.6

0.2

295

null

5

P -1

-P 1

2

- C28 H24 N2 O4 Zn -

- C56 H48 N4 O8 Zn2 -

2

1

SK1243

Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan

Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups

Acta Crystallographica Section C

1,999

55

4

508

510

10.1107/S0108270198015406

0.71073

MoKα

null

0.0279

null

0.0371

null

1.01

null

has coordinates

Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups Acta Crystallographica Section C 55(4) (1999) 508-510

301,791

2025-08-18

23:15:32

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2,008,429

6.9446

0.0006

9.8415

0.0007

17.0921

0.0013

94.102

0.006

94.906

0.006

100.05

0.006

1,141.57

0.16

293

2

293

2

null

6

P -1

-P 1

2

catena-Poly[diaqua(pyridine-2-carboxamide-N^1^,O)-copper(II)-μ-sulfato-O,O'] monohydrate

- C6 H12 Cu N2 O8 S -

- C24 H48 Cu4 N8 O32 S4 -

4

2

SK1250

Sieroń, Lesław; Bukowska-Strzyżewska, Maria

catena-Poly[[[diaqua(pyridine-2-carboxamide-N^1^,O)copper(II)]-μ-(sulfato-O:O')] monohydrate]

Acta Crystallographica Section C

1,999

55

4

491

494

10.1107/S0108270198015340

0.71073

MoKα

0.027

0.024

null

0.066

null

1.034

null

has coordinates

Sieroń, Lesław; Bukowska-Strzyżewska, Maria catena-Poly[[[diaqua(pyridine-2-carboxamide-N^1^,O)copper(II)]-μ-(sulfato-O:O')] monohydrate] Acta Crystallographica Section C 55(4) (1999) 491-494

176,759

2020-10-21

18:00:00

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2,008,430

11.0232

0.0002

15.1645

0.0002

24.2826

0.0001

90

null

90

null

90

null

4,059.11

0.09

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

- C14 H28 N2 S4 -

- C112 H224 N16 S32 -

8

1

Fangfang Jian; Lijian Jiang; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Xiaozeng You

Bis(dipropylthiocarbamoyl) disulfide

Acta Crystallographica Section C

1,999

55

574

576

null

has coordinates

Fangfang Jian; Lijian Jiang; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Xiaozeng You Bis(dipropylthiocarbamoyl) disulfide Acta Crystallographica Section C 55 (1999) 574-576

301,791

2025-08-18

23:15:32

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2,008,431

16.169

0.002

7.6796

0.0009

14.153

0.002

90

null

90

null

90

null

1,757.4

0.4

293

2

293

2

null

6

P n a 21

P 2c -2n

33

tris(ethylenediamine)-nickel(II)tetrathiomolybdate

- C6 H24 Mo N6 Ni S4 -

- C24 H96 Mo4 N24 Ni4 S16 -

4

1

SK1258

Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang

Tris(ethylenediamine-N,N')nickel(II) tetrathiomolybdate

Acta Crystallographica Section C

1,999

55

4

501

503

10.1107/S0108270198016461

0.71073

MoKα

0.039

0.021

null

0.05

0.046

null

1.01

1.044

null

has coordinates,has disorder

Ellermeier, Jan; Näther, Christian; Bensch, Wolfgang Tris(ethylenediamine-N,N')nickel(II) tetrathiomolybdate Acta Crystallographica Section C 55(4) (1999) 501-503

301,791

2025-08-18

23:15:32

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2,008,432

12.189

0.006

6.64

0.003

12.393

0.005

90

null

105.36

0.02

90

null

967.2

0.8

301

null

301

null

4

P 1 21/c 1

-P 2ybc

14

- C3 H13 K O7 -

- C12 H52 K4 O28 -

4

1

SX1073

Allen W. Apblett; Elizabeth M. Holt

Potassium methoxyacetate tetrahydrate

Acta Crystallographica Section C

1,999

55

4

539

541

10.1107/S0108270198014395

0.71073

MoKα

null

0.049

null

0.072

null

1.42

null

has coordinates

Allen W. Apblett; Elizabeth M. Holt Potassium methoxyacetate tetrahydrate Acta Crystallographica Section C 55(4) (1999) 539-541

301,791

2025-08-18

23:15:32

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2,008,433

7.513

0.001

12.74

0.002

8.68

0.001

90

null

95.67

0.02

90

null

826.7

0.2

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Patassium (μ-oxo) [(oxalato)-oxomolybdate] monohydrate

- C2 H2 K2 Mo O8 -

- C2 K2 Mo O8 -

- C8 K8 Mo4 O32 -

4

1

TA1220

Xing, Yong-Heng; Wang, Zuo; Xu, Ji-Qing; Li, Dong-Mei; Wang, Ren-Zhang; Bu, Wei-Ming; Ye, Ling; Xing Yan; Yong-Hua Lin; Heng-Qing Jia

K~2~[MoO~3~(C~2~O~4~)]^.^H~2~O

Acta Crystallographica Section C

1,999

55

4

521

523

10.1107/S0108270198014851

0.71073

MoKα

0.0378

0.0358

null

0.1049

0.1034

null

1.099

1.123

null

has coordinates

Xing, Yong-Heng; Wang, Zuo; Xu, Ji-Qing; Li, Dong-Mei; Wang, Ren-Zhang; Bu, Wei-Ming; Ye, Ling; Xing Yan; Yong-Hua Lin; Heng-Qing Jia K~2~[MoO~3~(C~2~O~4~)]^.^H~2~O Acta Crystallographica Section C 55(4) (1999) 521-523

176,759

2020-10-21

18:00:00

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4,321,988

9.011

null

9.338

null

11.941

null

74.51

null

86.96

null

86.5

null

965.765

null

150

0.2

150

null

5

P -1

-P 1

2

{[Cd(mu-(3,6-bis(pyridin-3-yl)-1,2,4,5-tetrazine)(NO3)2(MeOH)2]}n

- C14 H16 Cd N8 O8 -

- C28 H32 Cd2 N16 O16 -

2

1

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder

Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers

Inorganic Chemistry

1,999

38

2259

2266

10.1021/ic980898h

0.71069

MoKα

0.0231

0.0224

null

0.028

0.0277

null

1.097

1.2341

null

has coordinates

Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Wan-Sheung Li; Martin Schröder Solvent Control in the Synthesis of 3,6-Bis(pyridin-3-yl)-1,2,4,5-tetrazine-Bridged Cadmium(II) and Zinc(II) Coordination Polymers Inorganic Chemistry 38 (1999) 2259-2266

205,229

2020-10-21

18:00:00

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2,008,434

19.3111

0.0012

7.5851

0.0004

15.514

0.0008

90

null

90

null

90

null

2,272.4

0.2

298

null

298

null

4

P b c n

-P 2n 2ab

60

- H4 Mo4 O15 Sr -

- H32 Mo32 O120 Sr8 -

8

1

TA1224

Harrison, William T. A.

Strontium tetramolybdate dihydrate, SrMo~4~O~13~^.^2H~2~O

Acta Crystallographica Section C

1,999

55

4

485

487

10.1107/S0108270198013602

0.71073

MoKα

null

0.031

null

0.022

null

1.049

null

has coordinates

Harrison, William T. A. Strontium tetramolybdate dihydrate, SrMo~4~O~13~^.^2H~2~O Acta Crystallographica Section C 55(4) (1999) 485-487

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008434.cif $ #-------------------------------------------------------------------...

2,008,435

14.671

0.004

15.135

0.002

9.328

0.002

90

null

90

null

90

null

2,071.2

0.8

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

4,5-dihydro-1,2,4-oxadiazole

Methyl (2S)-2-[(5R)-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate

- C24 H22 N2 O3 -

- C96 H88 N8 O12 -

4

1

TA1227

Xu, Jiaxi; Li, Xiaoyu; Wang, Zhemin; Yang, Qingchuan; Yan, Chunhua

Methyl (2S)-2-[(5R)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate

Acta Crystallographica Section C

1,999

55

4

650

652

10.1107/S0108270198015492

0.71073

MoKα

0.0762

0.0549

null

0.1228

null

1.096

null

has coordinates,has Fobs

Xu, Jiaxi; Li, Xiaoyu; Wang, Zhemin; Yang, Qingchuan; Yan, Chunhua Methyl (2S)-2-[(5R)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate Acta Crystallographica Section C 55(4) (1999) 650-652

301,791

2025-08-18

23:15:32

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2,008,436

7.359

0.003

7.873

0.003

16.098

0.004

90

0.01

96

0.02

90

0.01

927.6

0.6

293

2

293

2

null

5

P 1 21 1

P 2yb

4

2'-Tosyl adenosine

- C17 H19 N5 O6 S -

- C34 H38 N10 O12 S2 -

2

1

VJ1090

D. Prahadeeswaran; T. P. Seshadri

2'-O-Tosyladenosine

Acta Crystallographica Section C

1,999

55

4

606

608

10.1107/S0108270198015236

1.5418

CuKα

0.0573

0.0565

null

0.1371

0.1356

null

1.086

1.091

null

has coordinates

D. Prahadeeswaran; T. P. Seshadri 2'-O-Tosyladenosine Acta Crystallographica Section C 55(4) (1999) 606-608

301,791

2025-08-18

23:15:32

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2,008,437

9.412

0.002

6.914

0.001

14.667

0.002

90

0.01

102.89

0.02

90

0.02

930.4

0.3

293

2

293

2

null

4

P 1 21 1

P 2yb

4

N^6^Anisoyl Adenosine Monohydrate

- C18 H21 N5 O7 -

- C36 H42 N10 O14 -

2

1

VJ1092

S. Kolappan; T. P. Seshadri

N^6^-Anisoyladenosine monohydrate

Acta Crystallographica Section C

1,999

55

4

603

604

10.1107/S0108270198015248

1.5418

CuKα

0.0371

0.0356

null

0.1048

0.1021

null

1.013

1.009

null

has coordinates,has Fobs

S. Kolappan; T. P. Seshadri N^6^-Anisoyladenosine monohydrate Acta Crystallographica Section C 55(4) (1999) 603-604

301,791

2025-08-18

23:15:32

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2,008,438

14.202

0.002

5.737

0.003

33.319

0.005

90

0.02

92.93

0.02

90

0.03

2,711.2

1.5

293

2

293

2

null

4

P 1 2 1

P 2y

3

N^3^,2',3'-Tri-O-Benzoyluridine

- C30 H24 N2 O9 -

- C120 H96 N8 O36 -

4

2

VJ1093

S. Kolappan; T. P. Seshadri

N^3^-Benzoyl-2',3'-di-O-benzoyluridine

Acta Crystallographica Section C

1,999

55

4

604

606

10.1107/S0108270198015224

1.5418

CuKα

0.0632

0.0407

null

0.157

0.1174

null

1.03

1.055

null

has coordinates,has Fobs

S. Kolappan; T. P. Seshadri N^3^-Benzoyl-2',3'-di-O-benzoyluridine Acta Crystallographica Section C 55(4) (1999) 604-606

301,791

2025-08-18

23:15:32

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2,008,439

9.2989

0.0007

14.057

0.001

3.6066

0.0003

90

null

90

null

90

null

471.44

0.06

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

4-NRTZ

4-nitramino-1,2,4-triazole

- C2 H3 N5 O2 -

- C8 H12 N20 O8 -

4

1

AV1027

Vasiliev, Alexander D.; Astachov, Alexander M.; Stepanov, Rudolf S.; Kirik, Sergei D.

4-Nitramino-1,2,4-triazole

Acta Crystallographica Section C

1,999

55

5

830

832

10.1107/S0108270199002243

1.5418

CuKα

0.028

0.027

null

0.073

null

1.096

null

has coordinates

Vasiliev, Alexander D.; Astachov, Alexander M.; Stepanov, Rudolf S.; Kirik, Sergei D. 4-Nitramino-1,2,4-triazole Acta Crystallographica Section C 55(5) (1999) 830-832

301,791

2025-08-18

23:15:32

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4,321,987

20.177

0.007

6.381

0.002

11.071

0.003

90

null

111.8

0.02

90

null

1,323.4

0.7

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Trimethyltin(IV)-cupper(I)dicyanide pyrazin adduct

- C18 H26 Cu2 N8 Sn2 -

- C36 H52 Cu4 N16 Sn4 -

2

0.25

Eric Siebel; Amany M.A. Ibrahim; R. Dieter Fischer

[CuCN.Me3SnCN.C4H4N2]: A Threefold- Interpenetrating, Distorted-Diamondoid Framework (C4H4N2= Pyrazine)

Inorganic Chemistry

1,999

38

2530

2532

10.1021/ic9808549

0.71073

MoKα

0.0396

0.0368

null

0.1077

0.1045

null

0.896

0.897

null

has coordinates

Eric Siebel; Amany M.A. Ibrahim; R. Dieter Fischer [CuCN.Me3SnCN.C4H4N2]: A Threefold- Interpenetrating, Distorted-Diamondoid Framework (C4H4N2= Pyrazine) Inorganic Chemistry 38 (1999) 2530-2532

179,322

2020-10-21

18:00:00

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2,008,440

20.652

0.002

8.8934

0.0006

7.5917

0.0005

90

null

90

null

90

null

1,394.34

0.19

297

null

273

null

5

A b a 2

A 2 -2ab

41

cadmium isopropylxanthate

cadmium(II) bis-(O-isopropyldithiocarbonate)

- C8 H14 Cd O2 S4 -

- C8 H14 Cd0.5 O2 S4 -

- C32 H56 Cd2 O8 S16 -

4

null

BK1413

Tomlin, David W.; Cooper, Thomas M.; Zelmon, David E.; Gebeyehu, Zewdu; Hughes, John M.

Cadmium isopropylxanthate

Acta Crystallographica Section C

1,999

55

5

717

719

10.1107/S010827019801823X

0.7107

MoKα

0.025

null

0.034

null

1.27

null

has coordinates,has Fobs

Tomlin, David W.; Cooper, Thomas M.; Zelmon, David E.; Gebeyehu, Zewdu; Hughes, John M. Cadmium isopropylxanthate Acta Crystallographica Section C 55(5) (1999) 717-719

176,759

2020-10-21

18:00:00

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2,008,441

13.2852

0.0004

11.4419

0.0003

13.5434

0.0004

90

null

98.438

0.002

90

null

2,036.42

0.1

123

2

123

2

null

4

P 1 21/n 1

-P 2yn

14

- C22 H29 N O4 -

- C88 H116 N4 O16 -

4

1

BK1450

Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji

Imide and tribenzyl ester derivatives of Kemp's triacid

Acta Crystallographica Section C

1,999

55

5

808

811

10.1107/S0108270198018241

0.71073

MoKα

0.068

0.047

null

0.123

0.105

null

1.066

1.073

null

has coordinates,has Fobs

Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji Imide and tribenzyl ester derivatives of Kemp's triacid Acta Crystallographica Section C 55(5) (1999) 808-811

301,791

2025-08-18

23:15:32

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2,008,442

9.1757

0.0004

13.1247

0.0006

18.6567

0.0009

90

null

97.412

0.003

90

null

2,228.02

0.18

123

2

123

2

null

4

P 1 21/n 1

-P 2yn

14

- C23 H33 N O5 -

- C92 H132 N4 O20 -

4

1

BK1450

Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji

Imide and tribenzyl ester derivatives of Kemp's triacid

Acta Crystallographica Section C

1,999

55

5

808

811

10.1107/S0108270198018241

0.71073

MoKα

0.097

0.059

null

0.162

0.125

null

1.083

1.064

null

has coordinates,has Fobs

Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji Imide and tribenzyl ester derivatives of Kemp's triacid Acta Crystallographica Section C 55(5) (1999) 808-811

301,791

2025-08-18

23:15:32

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2,008,443

14.5445

0.0005

9.668

0.0002

19.8101

0.0007

90

null

90.186

0.001

90

null

2,785.61

0.15

123

2

123

2

null

3

P 1 21/c 1

-P 2ybc

14

- C33 H36 O6 -

- C132 H144 O24 -

4

1

BK1450

Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji

Imide and tribenzyl ester derivatives of Kemp's triacid

Acta Crystallographica Section C

1,999

55

5

808

811

10.1107/S0108270198018241

0.71073

MoKα

0.063

0.044

null

0.115

0.099

null

1.032

1.046

null

has coordinates,has Fobs

Thuéry, Pierre; Nierlich, Martine; Wang, Zhen-He; Hirose, Takuji Imide and tribenzyl ester derivatives of Kemp's triacid Acta Crystallographica Section C 55(5) (1999) 808-811

301,791

2025-08-18

23:15:32

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2,008,444

7.669

0.005

12.402

0.008

27.204

0.007

90

null

90

null

90

null

2,587

2

293

2

293

2

null

3

P b c a

-P 2ac 2ab

61

- C16 H14 O4 -

- C128 H112 O32 -

8

1

BM1292

K. Rajalakshmi; Niveta Jain; S. Deepthi; H.G. Krishnamurthy; Vasantha Pattabhi

7-Hydroxy-4-(4-methoxyphenyl)-3,4-dihydrocoumarin

Acta Crystallographica Section C

1,999

55

5

813

815

10.1107/S0108270198016072

1.5418

CuKα

0.0749

0.0699

null

0.2033

0.1918

null

1.077

1.114

null

has coordinates

K. Rajalakshmi; Niveta Jain; S. Deepthi; H.G. Krishnamurthy; Vasantha Pattabhi 7-Hydroxy-4-(4-methoxyphenyl)-3,4-dihydrocoumarin Acta Crystallographica Section C 55(5) (1999) 813-815

301,791

2025-08-18

23:15:32

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2,008,445

7.3239

0.0014

9.8199

0.0014

13.738

0.003

90

null

90

null

90

null

988

0.3

143

2

143

2

null

5

P n a 21

P 2c -2n

33

1,2,4-Triazolium Di(methanesulfonyl)amidate

- C4 H10 N4 O4 S2 -

- C16 H40 N16 O16 S8 -

4

1

BM1307

Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand

Polysulfonylamines. CIX. 1,2,4-Triazolium di(methanesulfonyl)amidate

Acta Crystallographica Section C

1,999

55

5

754

756

10.1107/S0108270199000426

0.71073

MoKα

0.0204

0.0199

null

0.0549

null

1.068

null

has coordinates,has Fobs

Moers, Oliver; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand Polysulfonylamines. CIX. 1,2,4-Triazolium di(methanesulfonyl)amidate Acta Crystallographica Section C 55(5) (1999) 754-756

301,791

2025-08-18

23:15:32

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4,321,986

17.201

0.002

10.873

0.002

11.835

0.002

90

null

99.72

0.01

90

null

2,181.7

0.6

293

null

293

null

5

C 1 2/c 1

-C 2yc

15

- C12 H34 Cl4 Cu2 N6 -

- C12 Cl4 Cu2 N6 -

- C48 Cl16 Cu8 N24 -

4

0.5

Montserrat Rodríguez; Antoni Llobet; Montserrat Corbella; Arthur E. Martell; Joseph Reibenspies

Synthesis, Structure, and Magnetic Properties of a New Chloro-Bridged Dimer [Cu2(dpt)2Cl2]Cl2 with an Unusual Structure and Ferromagnetic Coupling

Inorganic Chemistry

1,999

38

2328

2334

10.1021/ic9808504

1.54178

CuKα

0.0553

0.0388

null

0.0455

0.0478

null

1.34

null

has coordinates

Montserrat Rodríguez; Antoni Llobet; Montserrat Corbella; Arthur E. Martell; Joseph Reibenspies Synthesis, Structure, and Magnetic Properties of a New Chloro-Bridged Dimer [Cu2(dpt)2Cl2]Cl2 with an Unusual Structure and Ferromagnetic Coupling Inorganic Chemistry 38 (1999) 2328-2334

176,337

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-10 16:06:18 +0200 (Wed, 10 Feb 2016) $ #$Revision: 176337 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321986.cif $ #-------------------------------------------------------------------...

2,008,446

7.4177

0.0008

21.393

0.002

9.2734

0.001

90

null

101.766

0.008

90

null

1,440.6

0.3

173

2

173

2

null

3

C 1 c 1

C -2yc

9

4-(2'-furyl)[2.2]paracyclophane

- C20 H18 O -

- C80 H72 O4 -

4

1

BM1314

Dix, Ina; Hopf, Henning; Jones, Peter G.

Heterocycle-substituted [2.2]paracyclophanes

Acta Crystallographica Section C

1,999

55

5

756

759

10.1107/S0108270199001808

0.71073

MoKα

0.0536

0.0478

null

0.1254

null

1.062

null

has coordinates

Dix, Ina; Hopf, Henning; Jones, Peter G. Heterocycle-substituted [2.2]paracyclophanes Acta Crystallographica Section C 55(5) (1999) 756-759

301,791

2025-08-18

23:15:32

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2,008,447

16.85

0.002

7.6203

0.001

11.574

0.002

90

null

95.523

0.011

90

null

1,479.2

0.4

173

2

173

2

null

3

P 1 21/c 1

-P 2ybc

14

4-(2'-thienyl)[2.2]paracyclophane

- C20 H18 S -

- C80 H72 S4 -

4

1

BM1314

Dix, Ina; Hopf, Henning; Jones, Peter G.

Heterocycle-substituted [2.2]paracyclophanes

Acta Crystallographica Section C

1,999

55

5

756

759

10.1107/S0108270199001808

0.71073

MoKα

0.0708

0.0378

null

0.0841

null

0.862

null

has coordinates,has disorder

Dix, Ina; Hopf, Henning; Jones, Peter G. Heterocycle-substituted [2.2]paracyclophanes Acta Crystallographica Section C 55(5) (1999) 756-759

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008447.cif $ #-------------------------------------------------------------------...

2,008,448

8.958

0.005

13.258

0.007

14.769

0.008

71.61

0.05

88.37

0.04

70.53

0.04

1,563.5

1.6

150

2

150

2

null

6

P -1

-P 1

2

5,9,14,18-N-(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18- tetraazadibenzo-[a,h]-tetraazacyclotetradecene)- dichlorozirconium(IV) tetrahydrofuran solvate(1/0.5)

- C28 H34 Cl2 N4 O0.5 Zr -

- C56 H68 Cl4 N8 O Zr2 -

2

1

CF1287

Corden, Jonathan P; Errington, William; Moore, Peter; Wallbridge, Malcolm G H

Dichloro(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18-tetraazadibenzo[a,h]cyclotetradecene-κ^4^N)zirconium(IV) tetrahydrofuran hemisolvate

Acta Crystallographica Section C

1,999

55

5

706

707

10.1107/S0108270198018010

0.71073

MoKα

0.123

0.051

null

0.117

null

0.709

null

has coordinates,has disorder

Corden, Jonathan P; Errington, William; Moore, Peter; Wallbridge, Malcolm G H Dichloro(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18-tetraazadibenzo[a,h]cyclotetradecene-κ^4^N)zirconium(IV) tetrahydrofuran hemisolvate Acta Crystallographica Section C 55(5) (1999) 706-707

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008448.cif $ #-------------------------------------------------------------------...

2,008,449

16.234

0.003

11.017

0.002

7.1954

0.0014

90

null

93.15

0.03

90

null

1,285

0.4

293

null

293

null

5

P 1 21/c 1

-P 2ybc

14

3-(3-pyridyl)4-p-tolyl-1,2,4-oxadiazoline-5-thione

- C14 H11 N3 O S -

- C56 H44 N12 O4 S4 -

4

1

DA1041

Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar

Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4H)-thiones

Acta Crystallographica Section C

1,999

55

5

761

764

10.1107/S0108270199000475

1.54184

CuKα

0.091

0.07

null

0.201

0.169

null

1.069

1.088

null

has coordinates,has Fobs

Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4H)-thiones Acta Crystallographica Section C 55(5) (1999) 761-764

301,791

2025-08-18

23:15:32

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2,008,450

7.728

0.001

8.826

0.002

9.3699

0.0009

112.89

0.01

112.029

0.009

94.84

0.01

525.57

0.16

100

null

100

null

5

P -1

-P 1

2

3-(2-pyridyl)-4-n-propyl-1,2,4-oxadiazoline-5-thione

- C10 H11 N3 O S -

- C20 H22 N6 O2 S2 -

2

1

DA1041

Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar

Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4H)-thiones

Acta Crystallographica Section C

1,999

55

5

761

764

10.1107/S0108270199000475

0.71073

MoKα

0.05

0.044

null

0.058

null

1.955

null

has coordinates

Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4H)-thiones Acta Crystallographica Section C 55(5) (1999) 761-764

301,791

2025-08-18

23:15:32

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2,008,451

12.105

0.003

12.105

0.003

5.776

0.003

90

null

90

null

90

null

846.4

0.5

293

2

293

2

null

4

P 43

P 4cw

78

2-amino-4-phenylthiazole

- C9 H8 N2 S -

- C36 H32 N8 S4 -

4

1

DA1045

Au-Alvarez, Oscar; Peterson, Ronald C.; Crespo, Alexis Acosta; Esteva, Yolanda Rodríguez; Alvarez, Heidy Marquez; Stiven, Ana M. Plutín; Hernández, Ramón Pomés

2-Amino-4-phenylthiazole

Acta Crystallographica Section C

1,999

55

5

821

823

10.1107/S0108270199001961

0.71073

MoKα

0.066

0.042

null

0.105

null

1.072

null

has coordinates

Au-Alvarez, Oscar; Peterson, Ronald C.; Crespo, Alexis Acosta; Esteva, Yolanda Rodríguez; Alvarez, Heidy Marquez; Stiven, Ana M. Plutín; Hernández, Ramón Pomés 2-Amino-4-phenylthiazole Acta Crystallographica Section C 55(5) (1999) 821-823

301,791

2025-08-18

23:15:32

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2,008,452

10.068

0.003

10.068

0.003

16.728

0.006

90

null

90

null

120

null

1,468.5

0.8

293

2

293

2

null

6

P 3 1 c

P 3 -2c

159

- C24 H27 Cl2 Mn N7 O8 -

- C48 H54 Cl4 Mn2 N14 O16 -

2

0.333333

DA1054

Qian, Ming; Gou, Shao-Hua; He, Ling; Zhou, Yu-Ming; Duan, Chun-Ying

[Tris(2-pyridyl-κN-methyleneamino-κN-ethyl)amine-κN]manganese(II) diperchlorate

Acta Crystallographica Section C

1,999

55

5

742

744

10.1107/S0108270198017624

0.71073

MoKα

0.0844

0.0516

null

0.1267

0.1165

null

1.052

1.244

null

has coordinates

Qian, Ming; Gou, Shao-Hua; He, Ling; Zhou, Yu-Ming; Duan, Chun-Ying [Tris(2-pyridyl-κN-methyleneamino-κN-ethyl)amine-κN]manganese(II) diperchlorate Acta Crystallographica Section C 55(5) (1999) 742-744

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008452.cif $ #-------------------------------------------------------------------...

2,008,453

7.1325

0.0006

9.7959

0.0008

12.3235

0.0008

74.082

0.006

81.086

0.006

86.242

0.007

817.78

0.11

293

2

293

2

null

5

P -1

-P 1

2

- C18 H14 Cl2 O Ti -

- C36 H28 Cl4 O2 Ti2 -

2

1

FG1495

Bu, Weiming; Wang, Jianhui; Ye, Ling; Mu, Ying; Yang, Guangdi; Fan, Yuguo

Dichloro{2-[(η^5^-cyclopentadienyl)phenylmethyl]phenolato-O}titanium

Acta Crystallographica Section C

1,999

55

5

728

730

10.1107/S0108270198015479

0.71073

MoKα

0.0562

0.0421

null

0.0707

0.0615

null

1.105

1.189

null

has coordinates

Bu, Weiming; Wang, Jianhui; Ye, Ling; Mu, Ying; Yang, Guangdi; Fan, Yuguo Dichloro{2-[(η^5^-cyclopentadienyl)phenylmethyl]phenolato-O}titanium Acta Crystallographica Section C 55(5) (1999) 728-730

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008453.cif $ #-------------------------------------------------------------------...

4,321,985

9.138

0.003

12.518

0.005

9.138

0.004

90

null

90

null

90

null

1,045.3

0.7

210

2

210

2

null

6

P n m a

-P 2ac 2n

62

- C6 H6 F N3 O3 Re -

- C24 H24 F4 N12 O12 Re4 -

4

0.5

William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen

Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)\ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN

Inorganic Chemistry

1,999

38

2340

2358

10.1021/ic980695t

0.71073

MoKα

0.0199

null

0.0607

0.0605

null

1.205

null

has coordinates

William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X...

179,322

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321985.cif $ #-------------------------------------------------------------------...

2,008,454

11.5121

0.0003

8.5186

0.0003

20.4454

0.0007

90

null

100.768

0.002

90

null

1,969.71

0.11

150

0.1

150

0.1

null

4

C 1 2/c 1

-C 2yc

15

Dibenzo[b,f]azepin-2-one

- C14 H9 N O -

- C112 H72 N8 O8 -

8

1

FG1517

Ruane, Patrick H.; McClelland, Robert A.; Lough, Alan J.

2H-Dibenzo[b,f]azepin-2-one

Acta Crystallographica Section C

1,999

55

5

819

821

10.1107/S0108270198016357

0.71073

MoKα

0.046

0.038

null

0.099

null

1.035

null

has coordinates

Ruane, Patrick H.; McClelland, Robert A.; Lough, Alan J. 2H-Dibenzo[b,f]azepin-2-one Acta Crystallographica Section C 55(5) (1999) 819-821

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008454.cif $ #-------------------------------------------------------------------...

2,008,455

10.2782

0.0001

11.4269

0.0002

13.5079

0.0002

96.11

0.01

99.224

0.001

113.462

0.001

1,410.87

0.06

293

2

293

2

null

3

P -1

-P 1

2

6,11-Dihydroxy-1,4-methano-1,4,4a-tetrahydronaphthacene-5,12-dione

- C19 H14 O4 -

- C76 H56 O16 -

4

2

FR1163

Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Sujit Kumar Ghorai; Nirmal Kumar Hazra; Gur Dayal Nigam

6,11-Dihydroxy-1,4-methano-1,4,4a,12a-tetrahydronaphthacene-5,12-dione

Acta Crystallographica Section C

1,999

55

5

776

778

10.1107/S0108270199000657

0.71073

MoKα

0.1033

0.0609

null

0.1499

null

1.079

null

has coordinates

Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Sujit Kumar Ghorai; Nirmal Kumar Hazra; Gur Dayal Nigam 6,11-Dihydroxy-1,4-methano-1,4,4a,12a-tetrahydronaphthacene-5,12-dione Acta Crystallographica Section C 55(5) (1999) 776-778

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008455.cif $ #-------------------------------------------------------------------...

2,008,456

9.063

0.001

16.543

0.002

8.46

0.001

90

null

83.11

0.01

90

null

1,259.2

0.3

295

null

6

P 1 21/c 1

-P 2ybc

14

- C13 H10 Cl F N2 O2 -

- C52 H40 Cl4 F4 N8 O8 -

4

1

FR1168

Candan, M. Murat; Kendi, Engin; Göker, Hakan

4-Chloro-N-(p-fluorobenzyl)-2-nitroaniline

Acta Crystallographica Section C

1,999

55

5

825

827

10.1107/S0108270199001456

0.71069

MoKα

null

0.039

null

0.046

null

0.97

null

has coordinates

Candan, M. Murat; Kendi, Engin; Göker, Hakan 4-Chloro-N-(p-fluorobenzyl)-2-nitroaniline Acta Crystallographica Section C 55(5) (1999) 825-827

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008456.cif $ #-------------------------------------------------------------------...

2,008,457

13.887

0.001

7.162

0.001

32.124

0.003

90

null

90

null

90

null

3,195

0.6

153

2

153

2

null

4

P n a 21

P 2c -2n

33

2-[3-(tosyloxy)-propoxy]benzaldehyde

- C17 H18 O5 S -

- C136 H144 O40 S8 -

8

2

FR1170

Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.

Capped-porphyrin precursors

Acta Crystallographica Section C

1,999

55

5

801

806

10.1107/S0108270198018034

0.71073

MoKα

0.089

0.049

null

0.11

null

0.91

null

has coordinates

Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A. Capped-porphyrin precursors Acta Crystallographica Section C 55(5) (1999) 801-806

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008457.cif $ #-------------------------------------------------------------------...

2,008,458

8.532

0.001

9.576

0.001

9.953

0.001

76.679

0.001

84.054

0.001

70.29

0.001

744.65

0.14

153

2

153

2

null

4

P -1

-P 1

2

2-[3-(Tosyloxy)ethoxy]benzaldehyde

- C16 H16 O5 S -

- C32 H32 O10 S2 -

2

1

FR1170

Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.

Capped-porphyrin precursors

Acta Crystallographica Section C

1,999

55

5

801

806

10.1107/S0108270198018034

0.71073

MoKα

0.055

0.041

null

0.11

null

1.41

null

has coordinates

Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A. Capped-porphyrin precursors Acta Crystallographica Section C 55(5) (1999) 801-806

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008458.cif $ #-------------------------------------------------------------------...

2,008,459

14.415

0.001

6.693

0.001

31.692

0.002

90

null

90

null

90

null

3,057.6

0.5

153

2

153

2

null

4

P b c n

-P 2n 2ab

60

2-[3-(Tosyloxy)-ethoxy]benzaldehyde hemihydrate

- C16 H17 O5.5 S -

- C128 H136 O44 S8 -

8

1

FR1170

Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.

Capped-porphyrin precursors

Acta Crystallographica Section C

1,999

55

5

801

806

10.1107/S0108270198018034

0.71073

MoKα

0.07

0.043

null

0.097

null

1.13

null

has coordinates

Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A. Capped-porphyrin precursors Acta Crystallographica Section C 55(5) (1999) 801-806

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008459.cif $ #-------------------------------------------------------------------...

2,008,460

7.685

0.001

9.042

0.001

32.071

0.003

90

null

93.46

0.01

90

null

2,224.5

0.4

153

2

153

2

null

3

P 1 21/c 1

-P 2ybc

14

1,2,4,5-Tetrakis{3-[2-(1,3-dioxolan-2-yl)phenoxy]propoxy}-benzene

- C50 H54 O16 -

- C100 H108 O32 -

2

0.5

FR1170

Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A.

Capped-porphyrin precursors

Acta Crystallographica Section C

1,999

55

5

801

806

10.1107/S0108270198018034

0.71073

MoKα

0.089

0.042

null

0.092

null

0.88

null

has coordinates

Jene, Paul G.; Chan, David S.; Cooke, Bethany L.; Ibers, James A. Capped-porphyrin precursors Acta Crystallographica Section C 55(5) (1999) 801-806

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008460.cif $ #-------------------------------------------------------------------...

2,008,461

12.148

0.002

24.682

0.002

8.021

0.002

90

null

90

null

90

null

2,405

0.7

296

null

296

null

3

P b c a

-P 2ac 2ab

61

3-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylbenzoic acid

- C13 H16 O4 -

- C104 H128 O32 -

8

1

FR1181

Gerkin, Roger E.

3-[2-(1,3-Dioxolan-2-yl)ethyl]-2-methylbenzoic acid

Acta Crystallographica Section C

1,999

55

5

798

801

10.1107/S0108270199000128

0.71073

MoKα

null

0.065

null

0.077

null

1.42

null

has coordinates

Gerkin, Roger E. 3-[2-(1,3-Dioxolan-2-yl)ethyl]-2-methylbenzoic acid Acta Crystallographica Section C 55(5) (1999) 798-801

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008461.cif $ #-------------------------------------------------------------------...

2,008,462

18.6342

0.0019

11.1941

0.0008

34.734

0.002

90

null

99.188

0.009

90

null

7,152.3

1

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Trinitrato-bis[N-(2-pyridinylmethylene)-N'-benzoyl-hydrazino]cerium(III) acetone dihydrate

- C29 H32 Ce N9 O14 -

- C29.5 H28 Ce N8.5 O14 -

- C236 H224 Ce8 N68 O112 -

8

2

GD1012

Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.

Bis[N-benzoyl-N'-(2-pyridylmethylene)hydrazine]trinitratocerium(III) acetone dihydrate

Acta Crystallographica Section C

1,999

55

5

707

710

10.1107/S0108270199000438

0.7107

MoKα

0.1077

0.0462

null

0.1162

null

0.945

null

has coordinates,has Fobs

Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G. Bis[N-benzoyl-N'-(2-pyridylmethylene)hydrazine]trinitratocerium(III) acetone dihydrate Acta Crystallographica Section C 55(5) (1999) 707-710

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008462.cif $ #-------------------------------------------------------------------...

2,008,463

12.369

0.001

12.998

0.001

13.39

0.001

63.54

0.01

88.97

0.01

79.89

0.01

1,892.9

0.3

296

2

296

2

null

6

P -1

-P 1

2

N-[2,3-dihydro-4-(2,5-Dimethoxyphenyl)thiazol-2-ylidene]-2,4- dichlorobenzenesulfonamide.

- C17 H14 Cl2 N2 O4 S2 -

- C68 H56 Cl8 N8 O16 S8 -

4

2

GS1030

Beuchet, Pierre; Léger, Jean-Michel; Varache-Lembége, Martine; Nuhrich, Alain

Tautomerism in a 2,4-dichlorobenzenesulfonamide derived from 2-amino-4-(2,5-dimethoxyphenyl)thiazole

Acta Crystallographica Section C

1,999

55

5

791

794

10.1107/S0108270198017922

1.54178

CuKα

0.07

0.041

null

0.101

0.134

null

1.043

1.088

null

has coordinates

Beuchet, Pierre; Léger, Jean-Michel; Varache-Lembége, Martine; Nuhrich, Alain Tautomerism in a 2,4-dichlorobenzenesulfonamide derived from 2-amino-4-(2,5-dimethoxyphenyl)thiazole Acta Crystallographica Section C 55(5) (1999) 791-794

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008463.cif $ #-------------------------------------------------------------------...

4,321,984

27.319

0.024

5.274

0.005

5.355

0.003

90

null

99.53

0.04

90

null

760.9

1.1

213

2

213

2

null

4

C 1 2 1

C 2y

5

mu-fluorohexafluorotetraoxodirhenate dioxotrifluororhenium adduct

- F13 K O8 Re2 -

- F26 K2 O16 Re4 -

2

0.5

William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen

Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)∞, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN

Inorganic Chemistry

1,999

38

2340

2358

10.1021/ic980695t

0.71073

MoKα

0.0254

0.0244

null

0.0677

0.0603

null

1.162

null

has coordinates

William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)∞, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray...

273,129

2022-02-23

10:11:34

#------------------------------------------------------------------------------ #$Date: 2022-02-23 12:09:43 +0200 (Wed, 23 Feb 2022) $ #$Revision: 273129 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321984.cif $ #-------------------------------------------------------------------...

2,008,464

14.149

0.005

12.76

0.003

16.754

0.007

90

null

107.68

0.03

90

null

2,882

2

293

null

293

null

4

P 1 21/n 1

-P 2yn

14

- C18 H16 O S -

- C144 H128 O8 S8 -

8

2

Minassian, Frédéric; Peloux-Léon, Nadia; Durif, André; Vallée, Yannick

12-Formyl-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene

Acta Crystallographica Section C

1,999

55

781

783

null

2,000,070

null

has coordinates

Minassian, Frédéric; Peloux-Léon, Nadia; Durif, André; Vallée, Yannick 12-Formyl-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene Acta Crystallographica Section C 55 (1999) 781-783

287,519

2023-11-10

19:29:21

#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008464.cif $ #-------------------------------------------------------------------...

2,008,465

9.033

0.001

11.081

0.001

13.447

0.001

90

null

90

null

90

null

1,346

0.2

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one

- C17 H13 N O2 -

- C68 H52 N4 O8 -

4

1

HA1246

Guha, Subhadra; Mukherjee, Alok K.; Khan, M. Wahab; Kundu, Nitya G.

(E)-3-(Benzoylmethylene)-N-methylisoindolin-1-one

Acta Crystallographica Section C

1,999

55

5

818

819

10.1107/S0108270198018393

0.71073

MoKα

0.069

0.04

null

0.104

0.096

null

0.863

0.968

null

has coordinates

Guha, Subhadra; Mukherjee, Alok K.; Khan, M. Wahab; Kundu, Nitya G. (E)-3-(Benzoylmethylene)-N-methylisoindolin-1-one Acta Crystallographica Section C 55(5) (1999) 818-819

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008465.cif $ #-------------------------------------------------------------------...

2,008,466

11.245

0.002

11.752

0.002

14.476

0.005

90

null

90

null

90

null

1,913

0.8

150

1

150

2

null

4

P 21 21 21

P 2ac 2ab

19

(1'R, 2'R)-3-[(cis-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2] octan-HBr

- C19 H33 Br N2 -

- C76 H132 Br4 N8 -

4

1

JZ1314

Hartmann, Susanne; Weckert, Edgar; Frahm, August W.

(1'R,2'R)-3-[(cis-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2]octane hydrobromide, a hypoglycaemic semicyclic amidine

Acta Crystallographica Section C

1,999

55

5

806

808

10.1107/S0108270199000402

0.71069

MoKα

0.0196

0.0195

null

0.0512

null

1.102

null

has coordinates,has Fobs

Hartmann, Susanne; Weckert, Edgar; Frahm, August W. (1'R,2'R)-3-[(cis-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2]octane hydrobromide, a hypoglycaemic semicyclic amidine Acta Crystallographica Section C 55(5) (1999) 806-808

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008466.cif $ #-------------------------------------------------------------------...

2,008,467

12.106

0.002

6.831

0.001

13.411

0.003

90

null

116.74

0.03

90

null

990.4

0.4

173

2

173

2

null

4

C 1 2/c 1

-C 2yc

15

Diaquahydrogen(1+) hexachloroantimonat

- Cl6 H5 O2 Sb -

- Cl24 H20 O8 Sb4 -

4

0.5

JZ1325

Minkwitz, Rolf; Hirsch, Claudia

Tieftemperaturstruktur von diaquahydrogen(1+) hexachloroantimonat, H~5~O~2~^+^^.^SbCl~6~^{-^}

Acta Crystallographica Section C

1,999

55

5

703

705

10.1107/S0108270198018058

0.71069

MoKα

0.065

0.034

null

0.064

0.058

null

0.995

1.074

null

has coordinates,has Fobs

Minkwitz, Rolf; Hirsch, Claudia Tieftemperaturstruktur von diaquahydrogen(1+) hexachloroantimonat, H~5~O~2~^+^^.^SbCl~6~^{-^} Acta Crystallographica Section C 55(5) (1999) 703-705

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008467.cif $ #-------------------------------------------------------------------...

2,008,468

6.914

0.003

9.48

0.007

13.644

0.004

102.9

0.04

90.3

0.03

106.85

0.05

831.9

0.8

293

2

293

2

null

4

P -1

-P 1

2

dimethyl (Z)-2-[1-methyl-2-(p-tolyl)-4,5-dihydro-1H-pyrrol-3- yl]but-2-enedioate

- C18 H21 N O4 -

- C36 H42 N2 O8 -

2

1

JZ1327

Zellmer, Dirk; Niewa, Rainer; Kreher, Richard P.

A functionalized dimethyl maleate (maleic acid dimethyl ester)

Acta Crystallographica Section C

1,999

55

5

823

825

10.1107/S0108270199000852

0.71069

MoKα

0.153

0.054

null

0.142

null

1.09

null

has coordinates

Zellmer, Dirk; Niewa, Rainer; Kreher, Richard P. A functionalized dimethyl maleate (maleic acid dimethyl ester) Acta Crystallographica Section C 55(5) (1999) 823-825

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008468.cif $ #-------------------------------------------------------------------...

2,008,469

4.8112

0.0007

4.8112

0.0007

23.302

0.005

90

null

90

null

120

null

467.12

0.14

173

2

173

2

null

4

R -3 :H

-R 3

148

barium dinickel(II) bis(phosphate)

- Ba Ni2 O8 P2 -

- Ba3 Ni6 O24 P6 -

3

0.166667

JZ1337

El-Bali, Brahim; Bolte, Michael; Boukhari, Ali; Aride, Jilali; Taibe, M'Hamed

BaNi~2~(PO~4~)~2~

Acta Crystallographica Section C

1,999

55

5

701

702

10.1107/S0108270199000499

0.71073

MoKα

0.039

null

0.099

null

1.167

null

has coordinates

El-Bali, Brahim; Bolte, Michael; Boukhari, Ali; Aride, Jilali; Taibe, M'Hamed BaNi~2~(PO~4~)~2~ Acta Crystallographica Section C 55(5) (1999) 701-702

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008469.cif $ #-------------------------------------------------------------------...

2,008,470

12.0311

0.0016

24.574

0.003

8.9357

0.0011

90

null

99.245

0.014

90

null

2,607.5

0.6

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

7-oxa-bicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylato-(2,2'-bipyridine-N,N') manganese(II) 7-oxa-bicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylic acid monohydrate

- C26 H28 Mn N2 O11 -

- C104 H112 Mn4 N8 O44 -

4

1

KA1307

Baumeister, Ute; Hartung, Helmut; Kaplonek, Roland

(2,2'-Bipyridine-N,N')(7-oxabicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylato-κ^3^O^2,3,7^)manganese(II)‒7-oxabicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylic acid‒water (1/1/1)

Acta Crystallographica Section C

1,999

55

5

715

717

10.1107/S0108270198018095

0.71073

MoKα

0.103

0.052

null

0.123

null

1.1

null

has coordinates

Baumeister, Ute; Hartung, Helmut; Kaplonek, Roland (2,2'-Bipyridine-N,N')(7-oxabicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylato-κ^3^O^2,3,7^)manganese(II)‒7-oxabicyclo[2.2.1]heptane-2-exo,3-exo-dicarboxylic acid‒water (1/1/1) Acta Crystallographica Section C 55(5) (1999) ...

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008470.cif $ #-------------------------------------------------------------------...

2,008,471

7.2842

0.0006

13.45

0.001

16.503

0.002

90

null

90

null

90

null

1,616.8

0.3

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

androst-4-ene-3,6,17-trione

Androst-4-ene-3,6,17-trione

- C19 H24 O3 -

- C76 H96 O12 -

4

1

KA1312

Addlagatta Anthony; Mariusz Jaskólski; Ashwini Nangia

Androst-4-ene-3,6,17-trione

Acta Crystallographica Section C

1,999

55

5

787

789

10.1107/S0108270199000517

1.54178

CuKα

0.042

0.035

null

0.101

null

1.01

null

has coordinates

Addlagatta Anthony; Mariusz Jaskólski; Ashwini Nangia Androst-4-ene-3,6,17-trione Acta Crystallographica Section C 55(5) (1999) 787-789

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008471.cif $ #-------------------------------------------------------------------...

4,321,983

5.499

0.0011

5.153

0.001

14.753

0.003

90

null

95.68

0.03

90

null

415.99

0.15

293

2

293

2

null

4

P 1 2/n 1

-P 2yac

13

- F7 K O4 Re2 -

- F14 K2 O8 Re4 -

2

0.5

William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen

Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)\ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN

Inorganic Chemistry

1,999

38

2340

2358

10.1021/ic980695t

0.56086

AgKα

0.0553

0.0473

null

0.1243

0.12

null

1.121

null

has coordinates

William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X...

179,322

2020-10-21

18:00:00

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2,008,472

8.181

0.002

9.036

0.002

8.392

0.001

90

null

90

null

90

null

620.4

0.2

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

- C4 H4 Ba O6 -

- C16 H16 Ba4 O24 -

4

1

LN1069

González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel

Barium L-tartrate

Acta Crystallographica Section C

1,999

55

5

740

742

10.1107/S0108270198016709

0.71069

MoKα

0.019

null

0.048

null

0.048

null

1.21

null

1.21

null

has coordinates

González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel Barium L-tartrate Acta Crystallographica Section C 55(5) (1999) 740-742

176,759

2020-10-21

18:00:00

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2,008,473

9.5461

0.0015

6.251

0.001

20.773

0.003

90

null

98.008

0.004

90

null

1,227.5

0.3

160

2

160

2

null

4

P 1 21/c 1

-P 2ybc

14

5-benzyloxy-1[H]-phenyltetrazole

- C14 H12 N4 O -

- C56 H48 N16 O4 -

4

1

LN1073

Brigas, Amadeu F.; Clegg, William; Johnstone, Robert A.W.; Mendonca, Ricardo F.

5-Benzyloxy-1-phenyltetrazole: catalytic transfer hydrogenolysis of benzyl ethers

Acta Crystallographica Section C

1,999

55

5

778

781

10.1107/S0108270199000141

0.71073

MoKα

0.0902

0.0397

null

0.0896

null

0.91

null

has coordinates,has Fobs

Brigas, Amadeu F.; Clegg, William; Johnstone, Robert A.W.; Mendonca, Ricardo F. 5-Benzyloxy-1-phenyltetrazole: catalytic transfer hydrogenolysis of benzyl ethers Acta Crystallographica Section C 55(5) (1999) 778-781

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008473.cif $ #-------------------------------------------------------------------...

2,008,474

14.276

0.003

15.29

0.003

19.807

0.004

90

null

102.36

0.02

90

null

4,223.3

1.5

298

2

298

2

null

7

P 1 21/n 1

-P 2yn

14

cis-chlorohydridotetrakis(triethylphosphine)iridium(III) bis(catecholato)borate

- C36 H69 B Cl Ir O4 P4 -

- C144 H276 B4 Cl4 Ir4 O16 P16 -

4

1

LN1074

Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.

Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations

Acta Crystallographica Section C

1,999

55

5

733

739

10.1107/S0108270199000323

0.71073

MoKα

0.05

0.0289

null

0.0796

null

1.02

null

has coordinates,has disorder

Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G. Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations Acta Crystallographica Section C 55(5) (1999) 733-739

176,759

2020-10-21

18:00:00

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2,008,475

12.5401

0.0008

13.5374

0.0009

16.931

0.0011

91.937

0.002

97.051

0.002

90.121

0.002

2,850.8

0.3

160

2

160

2

null

7

P -1

-P 1

2

trans-chlorohydridobis(1,2-bis(diphenylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane solvate

- C65 H59 B Cl3 O4 P4 Rh -

- C130 H118 B2 Cl6 O8 P8 Rh2 -

2

1

LN1074

Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.

Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations

Acta Crystallographica Section C

1,999

55

5

733

739

10.1107/S0108270199000323

0.71073

MoKα

0.0591

0.0461

null

0.1041

null

1.139

null

has coordinates

Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G. Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations Acta Crystallographica Section C 55(5) (1999) 733-739

176,759

2020-10-21

18:00:00

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2,008,476

13.932

0.0008

21.2938

0.001

25.5613

0.0014

90

null

90

null

90

null

7,583.1

0.7

160

2

160

2

null

7

P 21 21 21

P 2ac 2ab

19

trans-chlorohydridobis(1,2-bis(dicyclohexylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane tetrasolvate

- C68 H113 B Cl9 O4 P4 Rh -

- C272 H452 B4 Cl36 O16 P16 Rh4 -

4

1

LN1074

Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.

Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations

Acta Crystallographica Section C

1,999

55

5

733

739

10.1107/S0108270199000323

0.71073

MoKα

0.0993

0.0858

null

0.1783

null

1.381

null

has coordinates

Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G. Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations Acta Crystallographica Section C 55(5) (1999) 733-739

176,759

2020-10-21

18:00:00

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2,008,477

9.7315

0.0009

29.559

0.003

10.8716

0.001

90

null

102.541

0.002

90

null

3,052.6

0.5

160

2

160

2

null

6

P 1 21/n 1

-P 2yn

14

tetrakis(trimethylphosphine)rhodium(I) bis(catecholato)borate

- C24 H44 B O4 P4 Rh -

- C96 H176 B4 O16 P16 Rh4 -

4

1

LN1074

Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.

Salts of the bis(catecholato)borate anion with rhodium– and iridium–phosphine complex cations

Acta Crystallographica Section C

1,999

55

5

733

739

10.1107/S0108270199000323

0.71073

MoKα

0.0609

0.0365

null

0.0815

null

1.053

null

has coordinates

Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G. Salts of the bis(catecholato)borate anion with rhodium– and iridium–phosphine complex cations Acta Crystallographica Section C 55(5) (1999) 733-739

301,791

2025-08-18

23:15:32

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4,321,982

4.727

0.003

4.727

0.003

8.88

0.007

90

null

90

null

90

null

198.4

0.2

null

293

2

null

4

P -4 21 m

P -4 2ab

113

- F4 Li O2 Re -

- F8 Li2 O4 Re2 -

2

0.25

William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen

Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)\ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN

Inorganic Chemistry

1,999

38

2340

2358

10.1021/ic980695t

0.56086

AgKα

0.0397

0.0378

null

0.1084

0.1029

null

1.207

1.2

null

has coordinates

William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)ιnfty, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X...

179,322

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321982.cif $ #-------------------------------------------------------------------...

2,008,478

13.4442

0.0007

18.7746

0.001

24.5809

0.0012

90

null

90

null

90

null

6,204.5

0.6

160

2

160

2

null

6

P b c a

-P 2ac 2ab

61

cis-dihydridotetrakis(trimethylphosphine)rhodium(III) bis(catecholato)borate

- C24 H46 B O4 P4 Rh -

- C192 H368 B8 O32 P32 Rh8 -

8

1

LN1074

Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.

Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations

Acta Crystallographica Section C

1,999

55

5

733

739

10.1107/S0108270199000323

0.71073

MoKα

0.1043

0.0878

null

0.1903

null

1.448

null

has coordinates,has disorder

Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G. Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations Acta Crystallographica Section C 55(5) (1999) 733-739

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008478.cif $ #-------------------------------------------------------------------...

2,008,479

10.387

0.001

10.248

0.001

13.857

0.003

90

null

107.54

0.02

90

null

1,406.4

0.4

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

- C16 H14 N2 O3 -

- C64 H56 N8 O12 -

4

1

NA1384

Subramanian, E.; Renganayaki, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun

N-Methyl-2'-nitrocinnamanilide

Acta Crystallographica Section C

1,999

55

5

764

766

10.1107/S010827019801806X

0.71073

MoKα

0.058

0.044

null

0.124

0.113

null

1.029

1.083

null

has coordinates

Subramanian, E.; Renganayaki, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun N-Methyl-2'-nitrocinnamanilide Acta Crystallographica Section C 55(5) (1999) 764-766

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008479.cif $ #-------------------------------------------------------------------...

2,008,480

13.5557

0.0013

9.8241

0.0009

17.604

0.002

90

null

90

null

90

null

2,344.4

0.4

295

2

null

5

P n a 21

P 2c -2n

33

Dichloro(pentamethylcyclopentadienyl)(2,6-diisopropylaniline)rhodium(III)

- C22 H34 Cl2 N Rh -

- C88 H136 Cl8 N4 Rh4 -

4

1

NA1385

Lee, Soon W.; Lee, Jae-Gyung

Dichloro(2,6-diisopropylaniline-N)(η^5^-pentamethylcyclopentadienyl)rhodium(III)

Acta Crystallographica Section C

1,999

55

5

722

724

10.1107/S0108270198014693

0.71073

MoKα

null

0.0232

null

0.0611

null

1.083

null

has coordinates

Lee, Soon W.; Lee, Jae-Gyung Dichloro(2,6-diisopropylaniline-N)(η^5^-pentamethylcyclopentadienyl)rhodium(III) Acta Crystallographica Section C 55(5) (1999) 722-724

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008480.cif $ #-------------------------------------------------------------------...

2,008,481

12.336

0.001

13.447

0.001

20.024

0.001

75.44

0.01

88.71

0.01

63.8

0.01

2,869.6

0.5

293

2

293

2

null

8

P -1

-P 1

2

A W-Ag-Se Cluster Compound, (μ~3~-bromine)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver)- ethanol [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH

- C56 H51 Ag3 Br O P3 Se4 W -

- C112 H102 Ag6 Br2 O2 P6 Se8 W2 -

2

1

NA1390

Zhang, Qianfeng; Xin, Xinquan; Hong, Maochun; Cao, Rong; S.Shanmuga Sundara Raj; Hoong-Kun Fun

A W‒Ag‒Se cluster compound: (μ~3~-bromo)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver) ethanol solvate, [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH

Acta Crystallographica Section C

1,999

55

5

726

728

10.1107/S0108270199000207

0.71073

MoKα

0.055

0.041

null

0.107

null

1.038

null

has coordinates,has Fobs

Zhang, Qianfeng; Xin, Xinquan; Hong, Maochun; Cao, Rong; S.Shanmuga Sundara Raj; Hoong-Kun Fun A W‒Ag‒Se cluster compound: (μ~3~-bromo)(μ~3~-tetraselenidotungstide)tris(triphenylphosphinesilver) ethanol solvate, [(μ~3~-Br)(μ~3~-WSe~4~)(AgPPh~3~)~3~]^.^EtOH Acta Crystallographica Section C 55(5) (1999) 726-728

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008481.cif $ #-------------------------------------------------------------------...

4,321,981

10.353

0.002

16.679

0.002

9.482

0.001

99.91

0.01

106.33

0.01

77.8

0.01

1,524.7

0.4

300

null

300

null

3

P -1

-P 1

2

1,1-diphenyl-2,3,4,5-tetraphenylstannole

- C40 H30 Sn -

- C80 H60 Sn2 -

2

1

Justin Ferman; Joseph P. Kakareka; Wim T. Klooster; Jerome L. Mullin; Joseph Quattrucci; John S. Ricci; Henry J. Tracy; William J. Vining; Scott Wallace

Electrochemical and Photophysical Properties of a Series of Group-14 Metalloles

Inorganic Chemistry

1,999

38

2464

2472

10.1021/ic980662d

0.7107

Mokα

null

0.037

null

0.038

null

1.11

null

has coordinates

Justin Ferman; Joseph P. Kakareka; Wim T. Klooster; Jerome L. Mullin; Joseph Quattrucci; John S. Ricci; Henry J. Tracy; William J. Vining; Scott Wallace Electrochemical and Photophysical Properties of a Series of Group-14 Metalloles Inorganic Chemistry 38 (1999) 2464-2472

176,467

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321981.cif $ #-------------------------------------------------------------------...

2,008,482

14.084

0.005

14.047

0.005

10.402

0.005

90

0.005

93.463

0.005

90

0.005

2,054.2

1.4

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis[(N,N,N',N",N"pentamethyldiethylenetriamine)iodoplatinum(II)] [tetraiodo-μ-,μ'-diiododiplatinate(II)]

- C18 H46 I8 N6 Pt4 -

- C36 H92 I16 N12 Pt8 -

2

0.5

NA1394

Francesco P. Fanizzi; Francesco P. Intini; Luciana Maresca; Giovanni Natile; Concetta Pacifico

Bis[iodo(N,N,N',N'',N''-pentamethyldiethylenetriamine-κ^3^N)platinum(II)] di-μ-iodo-bis[diiodoplatinate(II)]

Acta Crystallographica Section C

1,999

55

5

712

714

10.1107/S010827019801693X

0.71069

MoKα

null

0.043

null

0.079

null

0.841

null

has coordinates

Francesco P. Fanizzi; Francesco P. Intini; Luciana Maresca; Giovanni Natile; Concetta Pacifico Bis[iodo(N,N,N',N'',N''-pentamethyldiethylenetriamine-κ^3^N)platinum(II)] di-μ-iodo-bis[diiodoplatinate(II)] Acta Crystallographica Section C 55(5) (1999) 712-714

176,759

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008482.cif $ #-------------------------------------------------------------------...

2,008,483

10.386

0.001

22.501

0.001

11.114

0.001

90

null

110.08

0.03

90

null

2,439.4

0.6

298

null

6

P 1 21/n 1

-P 2yn

14

- C15 H23 Cl5 N3 O P3 -

- C60 H92 Cl20 N12 O4 P12 -

4

1

NA1395

Hökelek, Tuncer; Kılıç, Adem; Begeç, Saliha; Kılıç, Zeynel

2,4,4,6,6-Pentachloro-2-(2,6-di-tert-butyl-4-methylphenoxy)cyclo-2λ^5^,4λ^5^,6λ^5^-triphosphazatriene

Acta Crystallographica Section C

1,999

55

5

783

785

10.1107/S0108270198016941

0.71073

MoKα

null

0.038

null

0.05

null

1.6

null

has coordinates

Hökelek, Tuncer; Kılıç, Adem; Begeç, Saliha; Kılıç, Zeynel 2,4,4,6,6-Pentachloro-2-(2,6-di-tert-butyl-4-methylphenoxy)cyclo-2λ^5^,4λ^5^,6λ^5^-triphosphazatriene Acta Crystallographica Section C 55(5) (1999) 783-785

301,791

2025-08-18

23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008483.cif $ #-------------------------------------------------------------------...

2,008,484

8.4481

0.0001

16.4652

0.0001

16.814

0.0002

104.33

0.001

97.886

0.001

92.943

0.001

2,235.74

0.04

293

2

293

2

null

3

P -1

-P 1

2

2,2-di(2-methoxyphenyl)-4-methyl-7,8,9,10-tetrahydro-8,9epoxy[2H]benzo [ 1,2-b]chromene

- C28 H26 O4 -

- C112 H104 O16 -

4

2

NA1398

Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.

2,2-Bis(2-methoxyphenyl)-4-methyl-8,9-epoxy-7,8,9,10-tetrahydro-2H-benzo[h]chromene

Acta Crystallographica Section C

1,999

55

5

768

770

10.1107/S0108270198018071

0.71073

MoKα

0.118

0.049

null

0.138

null

0.884

null

has coordinates

Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T. 2,2-Bis(2-methoxyphenyl)-4-methyl-8,9-epoxy-7,8,9,10-tetrahydro-2H-benzo[h]chromene Acta Crystallographica Section C 55(5) (1999) 768-770

301,791

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4,321,980

10.242

0.001

10.751

0.001

13.289

0.002

90

null

102.87

0.01

90

null

1,426.5

0.3

293

null

293

null

4

P 1 21/a 1

-P 2yab

14

(COD)Pt(dddt)

(1,5-cyclooctadiene)(5,6-dihydro-1,4-dithiin-2,3-dithiolate)platinum(II)

- C12 H16 Pt S4 -

- C48 H64 Pt4 S16 -

4

1

Christopher E. Keefer; Robert D. Bereman; Suzanne T. Purrington; Brian W. Knight; Paul D. Boyle

The 195Pt NMR of L2Pt(1,2-dithiolene) Complexes

Inorganic Chemistry

1,999

38

2294

2302

10.1021/ic980369d

0.7093

MolybdenumKα

0.044

null

0.048

null

1.54

null

has coordinates

Christopher E. Keefer; Robert D. Bereman; Suzanne T. Purrington; Brian W. Knight; Paul D. Boyle The 195Pt NMR of L2Pt(1,2-dithiolene) Complexes Inorganic Chemistry 38 (1999) 2294-2302

176,467

2020-10-21

18:00:00

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2,008,485

22.07

0.02

4.419

0.006

22.29

0.03

90

null

127.18

0.08

90

null

1,732

4

293

null

5

C 1 2 1

C 2y

5

(+)-(2R-cis)-10-Bromo-2,3,3a,8-tetrahydro- N,N-dimethyl-dibenz[c,f]isoxazolo[2,3-a]azepine-2-methanamine

- C19 H21 Br N2 O -

- C76 H84 Br4 N8 O4 -

4

1

NA1399

Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter; Hans L. De Winter

(+)-(2R-cis)-Dimethyl(10-bromo-2,3,3a,8-tetrahydrodibenz[c,f]isoxazolo[2,3-a]azepin-2-ylmethyl)amine

Acta Crystallographica Section C

1,999

55

5

794

796

10.1107/S0108270199000219

0.71073

MoKα

0.0633

0.0365

null

0.0908

null

0.0908

null

1.056

null

1.056

null

has coordinates

Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter; Hans L. De Winter (+)-(2R-cis)-Dimethyl(10-bromo-2,3,3a,8-tetrahydrodibenz[c,f]isoxazolo[2,3-a]azepin-2-ylmethyl)amine Acta Crystallographica Section C 55(5) (1999) 794-796

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2,008,486

6.376

0.0001

18.121

0.0002

10.6546

0.0001

90

null

107.408

0.0001

90

null

1,174.65

0.03

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

- C16 H12 O3 -

- C64 H48 O12 -

4

1

Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal

5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5H-fluoreno[2,3-b]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5H-fluoreno[2,3-b]furan-5-ol

Acta Crystallographica Section C

1,999

55

774

776

null

has coordinates

Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal 5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5H-fluoreno[2,3-b]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5H-fluoreno[2,3-b]furan-5-ol Acta Crystallographica Section C 55 (1999) 774-776

301,791

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2,008,487

9.8318

0.0001

9.9472

0.0002

14.2471

0.0003

73.852

0.008

86.554

0.009

78.916

0.001

1,313.38

0.07

293

2

293

2

null

3

P -1

-P 1

2

5,5a,6,9,9a-pentahydro-5-hydroxy-6,9-methano-4-methoxyfluoreno[ 2,3-d]furan

- C17 H16 O3 -

- C68 H64 O12 -

4

2

NA1407

Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal

5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5H-fluoreno[2,3-b]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5H-fluoreno[2,3-b]furan-5-ol

Acta Crystallographica Section C

1,999

55

5

774

776

10.1107/S0108270199001596

0.71073

MoKα

0.142

0.058

null

0.159

null

0.906

null

has coordinates

Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal 5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5H-fluoreno[2,3-b]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5H-fluoreno[2,3-b]furan-5-ol Acta Crystallographica Section...

301,791

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23:15:32

#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/84/2008487.cif $ #-------------------------------------------------------------------...